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CAS 56076-21-2 2-ethoxy-5-fluoropyrimidin-4-amine molecular structure lightbox
CAS RN: 56076-21-2

2-ethoxy-5-fluoropyrimidin-4-amine

  • Product code: SSC-164039
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 56076-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

56076-21-2 / 2-ethoxy-5-fluoropyrimidin-4-amine

Standard CAS: 56076-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56076-21-2
Multi CAS
Yes
Molecular Formula
C6FH8N3O
Molecular Weight
157.150000
Exact Mass
157.065140
InChI
InChI=1S/C6H8FN3O/c1-2-11-6-9-3-4(7)5(8)10-6/h3H,2H2,1H3,(H2,8,9,10)
InChIKey
UNPWKSQAHRVMMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.57
TPSA
61.03

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.6
Consensus LogP
0.57
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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